[2-(2-nitrophenyl)-1-benzofuran-3-yl]methanol

C15H11NO4 — CID 11149875

IUPAC[2-(2-nitrophenyl)-1-benzofuran-3-yl]methanol
SMILESO=[N+]([O-])c1ccccc1-c1oc2ccccc2c1CO
InChIInChI=1S/C15H11NO4/c17-9-12-10-5-2-4-8-14(10)20-15(12)11-6-1-3-7-13(11)16(18)19/h1-8,17H,9H2
InChIKeyNRVBPSYMUBKELI-UHFFFAOYSA-N
MW269.26 g/mol
LogP3.50
Rot. Bonds3

About [2-(2-nitrophenyl)-1-benzofuran-3-yl]methanol

[2-(2-nitrophenyl)-1-benzofuran-3-yl]methanol (PubChem CID 11149875) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is [2-(2-nitrophenyl)-1-benzofuran-3-yl]methanol.

Molecular Properties

Compound Name[2-(2-nitrophenyl)-1-benzofuran-3-yl]methanol
PubChem CID11149875
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name[2-(2-nitrophenyl)-1-benzofuran-3-yl]methanol
SMILESO=[N+]([O-])c1ccccc1-c1oc2ccccc2c1CO
InChIInChI=1S/C15H11NO4/c17-9-12-10-5-2-4-8-14(10)20-15(12)11-6-1-3-7-13(11)16(18)19/h1-8,17H,9H2
InChIKeyNRVBPSYMUBKELI-UHFFFAOYSA-N
XLogP3.50
TPSA76.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(2-nitrophenyl)-1-benzofuran-3-yl]methanol?
The IUPAC name of [2-(2-nitrophenyl)-1-benzofuran-3-yl]methanol (CID 11149875) is [2-(2-nitrophenyl)-1-benzofuran-3-yl]methanol.
What is the SMILES notation for [2-(2-nitrophenyl)-1-benzofuran-3-yl]methanol?
The canonical SMILES for [2-(2-nitrophenyl)-1-benzofuran-3-yl]methanol is O=[N+]([O-])c1ccccc1-c1oc2ccccc2c1CO.
What is the InChIKey of [2-(2-nitrophenyl)-1-benzofuran-3-yl]methanol?
The InChIKey is NRVBPSYMUBKELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c17-9-12-10-5-2-4-8-14(10)20-15(12)11-6-1-3-7-13(11)16(18)19/h1-8,17H,9H2.
What are the key properties of [2-(2-nitrophenyl)-1-benzofuran-3-yl]methanol?
[2-(2-nitrophenyl)-1-benzofuran-3-yl]methanol has a molecular weight of 269.26 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-nitrophenyl)-1-benzofuran-3-yl]methanol is sourced from PubChem (CID 11149875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).